N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide

C13H20N4O — CID 73440067

IUPACN-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide
SMILESCNC(=O)CCc1cc(C)nc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O/c1-9-8-10(5-6-12(18)14-2)17-13(16-9)11-4-3-7-15-11/h8,11,15H,3-7H2,1-2H3,(H,14,18)
InChIKeyDGGQHMPHNMVLCO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.89
Rot. Bonds4

About N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide

N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide (PubChem CID 73440067) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide
PubChem CID73440067
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide
SMILESCNC(=O)CCc1cc(C)nc(C2CCCN2)n1
InChIInChI=1S/C13H20N4O/c1-9-8-10(5-6-12(18)14-2)17-13(16-9)11-4-3-7-15-11/h8,11,15H,3-7H2,1-2H3,(H,14,18)
InChIKeyDGGQHMPHNMVLCO-UHFFFAOYSA-N
XLogP0.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide?
The IUPAC name of N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide (CID 73440067) is N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide is CNC(=O)CCc1cc(C)nc(C2CCCN2)n1.
What is the InChIKey of N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide?
The InChIKey is DGGQHMPHNMVLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-8-10(5-6-12(18)14-2)17-13(16-9)11-4-3-7-15-11/h8,11,15H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide?
N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-2-pyrrolidin-2-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 73440067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).